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Name |
3-Chloro-9-thia-7,8-diazabicyclo[4.3.0]nona-2,4,7,10-tetraene |
EINECS | N/A |
CAS No. | 23644-01-1 | Density | 1.531 g/cm3 |
PSA | 54.02000 | LogP | 2.34470 |
Solubility | N/A | Melting Point |
74-75 °C |
Formula | C6H3ClN2S | Boiling Point | 262 °C at 760 mmHg |
Molecular Weight | 170.622 | Flash Point | 112.3 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1,2,3-BENZOTHIADIAZOLE, 6-CHLORO- |
The 3-Chloro-9-thia-7,8-diazabicyclo[4.3.0]nona-2,4,7,10-tetraene is an organic compound with the formula C6H3ClN2S. With the CAS registry number 23644-01-1, the IUPAC name of this chemical is 6-chloro-1,2,3-benzothiadiazole.
Physical properties about 3-Chloro-9-thia-7,8-diazabicyclo[4.3.0]nona-2,4,7,10-tetraene are: (1)ACD/LogP: 2.76; (2)ACD/LogD (pH 5.5): 2.76; (3)ACD/LogD (pH 7.4): 2.76; (4)ACD/BCF (pH 5.5): 73.46; (5)ACD/BCF (pH 7.4): 73.46; (6)ACD/KOC (pH 5.5): 753.96; (7)ACD/KOC (pH 7.4): 753.96; (8)#H bond acceptors: 2; (9)Polar Surface Area: 54.02 Å2; (10)Index of Refraction: 1.71; (11)Molar Refractivity: 43.55 cm3; (12)Molar Volume: 111.4 cm3; (13)Polarizability: 17.26×10-24cm3; (14)Surface Tension: 66.6 dyne/cm; (15)Density: 1.531 g/cm3; (16)Flash Point: 112.3 °C; (17)Enthalpy of Vaporization: 47.96 kJ/mol; (18)Boiling Point: 262 °C at 760 mmHg; (19)Vapour Pressure: 0.0182 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc2nnsc2c1
(2)InChI: InChI=1/C6H3ClN2S/c7-4-1-2-5-6(3-4)10-9-8-5/h1-3H
(3)InChIKey: JDEPJFDVBPZWBW-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C6H3ClN2S/c7-4-1-2-5-6(3-4)10-9-8-5/h1-3H
(5)Std. InChIKey: JDEPJFDVBPZWBW-UHFFFAOYSA-N